General Information of the Compound
| Compound ID |
CP0942086
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| Compound Name |
1-(4-nitrophenyl)-3-benzyl-3-acetyloxyamino-propenone
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| Structure |
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| Formula |
C18H16N2O5
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| Molecular Weight |
340.335
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| Canonical SMILES |
CC(=O)ON(/C=C\C(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1
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| InChI |
InChI=1S/C18H16N2O5/c1-14(21)25-19(13-15-5-3-2-4-6-15)12-11-18(22)16-7-9-17(10-8-16)20(23)24/h2-12H,13H2,1H3/b12-11-
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| InChIKey |
ZXLNVZQVDRZNIW-QXMHVHEDSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound